methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate

C8H7FN2O5 — CID 66936775

IUPACmethyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ncc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O5/c1-15-7(12)4-16-8-6(11(13)14)2-5(9)3-10-8/h2-3H,4H2,1H3
InChIKeySWSWOWLRBPPBGK-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.68
Rot. Bonds4

About methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate

methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate (PubChem CID 66936775) has the molecular formula C8H7FN2O5 and a molecular weight of 230.15 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate
PubChem CID66936775
Molecular FormulaC8H7FN2O5
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Namemethyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ncc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O5/c1-15-7(12)4-16-8-6(11(13)14)2-5(9)3-10-8/h2-3H,4H2,1H3
InChIKeySWSWOWLRBPPBGK-UHFFFAOYSA-N
XLogP0.68
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate (CID 66936775) is methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate is COC(=O)COc1ncc(F)cc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate?
The InChIKey is SWSWOWLRBPPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O5/c1-15-7(12)4-16-8-6(11(13)14)2-5(9)3-10-8/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate?
methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate has a molecular weight of 230.15 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-3-nitro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 66936775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).